1. Optical properties of Cu-doped ZnO nanoparticles experimental and first-principles theory research
- Author
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J. H. Zheng, J. L. Song, Jianshe Lian, and Q.C. Jiang
- Subjects
Range (particle radiation) ,Materials science ,Nanoparticle ,Nanotechnology ,Cu doped ,Condensed Matter Physics ,Atomic and Molecular Physics, and Optics ,Electronic, Optical and Magnetic Materials ,Zno nanoparticles ,Chemical physics ,Photocatalysis ,Density functional theory ,Irradiation ,Electrical and Electronic Engineering ,Visible spectrum - Abstract
Zn1−xCuxO nanoparticles were synthesized by using sol–gel method. Structure and optical properties of Zn1−xCuxO nanoparticles were studied experimentally and theoretically. The simulations are based upon the Perdew-Burke-Ernzerhof form of generalized gradient approximation within the density functional theory. The results showed that the UV emission is effectively quenched and the emission in visible-light region is enhanced by Cu-doping, which are theoretically explained to be attributed to the electronic intra-band transition from the occupied bands to the unoccupied ones under irradiation. Therefore, Zn1−xCuxO system may be a potential candidate for photocatalytic in visible light range.
- Published
- 2012
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